The COVID-19 PHARMACOME: a method for the rational selection of drug repurposing candidates from multimodal knowledge harmonization

  • The SARS-CoV-2 pandemic has challenged researchers at a global scale. The scientific community’s massive response has resulted in a flood of experiments, analyses, hypotheses, and publications, especially in the field of drug repurposing. However, many of the proposed therapeutic compounds obtained from SARS-CoV-2 specific assays are not in agreement and thus demonstrate the need for a singular source of COVID-19 related information from which a rational selection of drug repurposing candidates can be made. In this paper, we present the COVID-19 PHARMACOME, a comprehensive drug-target-mechanism graph generated from a compilation of 10 separate disease maps and sources of experimental data focused on SARS-CoV-2 / COVID-19 pathophysiology. By applying our systematic approach, we were able to predict the synergistic effect of specific drug pairs, such as Remdesivir and Thioguanosine or Nelfinavir and Raloxifene, on SARS-CoV-2 infection. Experimental validation of our results demonstrate that our graph can be used to not only explore the involved mechanistic pathways, but also to identify novel combinations of drug repurposing candidates.

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Author:Bruce SchultzORCiD, Andrea ZalianiORCiD, Christian EbelingORCiD, Jeanette ReinshagenORCiD, Denisa BojkovaORCiDGND, Vanessa Lage-RupprechtORCiD, Reagon KarkiORCiD, Sören LukassenORCiDGND, Yojana GadiyaORCiD, Neal G. RavindraORCiD, Sayoni DasORCiD, Shounak BaksiORCiD, Daniel Domingo FernándezORCiDGND, Manuel LentzenORCiD, Mark Strivens, Tamara RaschkaORCiD, Jindrich CinatlORCiDGND, Lauren Nicole DeLongORCiD, Phil GribbonORCiD, Gerd GeisslingerORCiDGND, Sandra CiesekORCiDGND, David van DijkORCiD, Steve GardnerORCiD, Alpha Tom KodamullilORCiDGND, Holger FröhlichORCiDGND, Manuel PeitschORCiDGND, Marc JacobsORCiD, Julia HoengORCiDGND, Roland EilsORCiDGND, Carsten ClaussenORCiD, Martin Hofmann-ApitiusORCiDGND
Parent Title (English):bioRxiv
Document Type:Preprint
Date of Publication (online):2021/02/12
Date of first Publication:2021/02/12
Publishing Institution:Universitätsbibliothek Johann Christian Senckenberg
Release Date:2023/04/19
Page Number:31
Fachübergreifende Einrichtungen / Zentrum für Arzneimittelforschung, Entwicklung und Sicherheit (ZAFES)
Dewey Decimal Classification:6 Technik, Medizin, angewandte Wissenschaften / 61 Medizin und Gesundheit / 610 Medizin und Gesundheit
Licence (German):License LogoCreative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International